6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine

C27H22N2O3 — CID 166515203

IUPAC6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine
SMILESCOc1cc2nccc(Nc3ccc(Oc4ccc5ccccc5c4)cc3)c2cc1OC
InChIInChI=1S/C27H22N2O3/c1-30-26-16-23-24(13-14-28-25(23)17-27(26)31-2)29-20-8-11-21(12-9-20)32-22-10-7-18-5-3-4-6-19(18)15-22/h3-17H,1-2H3,(H,28,29)
InChIKeyIHJSHWGMHYEXHA-UHFFFAOYSA-N
MW422.48 g/mol
LogP6.94
Rot. Bonds6

About 6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine

6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine (PubChem CID 166515203) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine
PubChem CID166515203
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC Name6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine
SMILESCOc1cc2nccc(Nc3ccc(Oc4ccc5ccccc5c4)cc3)c2cc1OC
InChIInChI=1S/C27H22N2O3/c1-30-26-16-23-24(13-14-28-25(23)17-27(26)31-2)29-20-8-11-21(12-9-20)32-22-10-7-18-5-3-4-6-19(18)15-22/h3-17H,1-2H3,(H,28,29)
InChIKeyIHJSHWGMHYEXHA-UHFFFAOYSA-N
XLogP6.94
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride
CID 67730198
2-[[3-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]phenyl]methoxy]benzonitrile
CID 90071525
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline
CID 23022656
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide
CID 44532199
N-(4-phenoxyphenyl)quinolin-4-amine
CID 44585573
1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
CID 53264744
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride
CID 67699123
N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
CID 53264749

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine (CID 166515203) is 6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine is COc1cc2nccc(Nc3ccc(Oc4ccc5ccccc5c4)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine?
The InChIKey is IHJSHWGMHYEXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c1-30-26-16-23-24(13-14-28-25(23)17-27(26)31-2)29-20-8-11-21(12-9-20)32-22-10-7-18-5-3-4-6-19(18)15-22/h3-17H,1-2H3,(H,28,29).
What are the key properties of 6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine?
6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine has a molecular weight of 422.48 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine is sourced from PubChem (CID 166515203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).